3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide

C18H18ClFN2O3S — CID 167951208

IUPAC3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)cc(Cl)c3)ccc21
InChIInChI=1S/C18H18ClFN2O3S/c1-2-7-22-17-5-4-15(8-12(17)3-6-18(22)23)21-26(24,25)16-10-13(19)9-14(20)11-16/h4-5,8-11,21H,2-3,6-7H2,1H3
InChIKeySGLKGNUMFZDWLK-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide

3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 167951208) has the molecular formula C18H18ClFN2O3S and a molecular weight of 396.87 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID167951208
Molecular FormulaC18H18ClFN2O3S
Molecular Weight396.87 g/mol
Exact Mass396.07
IUPAC Name3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)cc(Cl)c3)ccc21
InChIInChI=1S/C18H18ClFN2O3S/c1-2-7-22-17-5-4-15(8-12(17)3-6-18(22)23)21-26(24,25)16-10-13(19)9-14(20)11-16/h4-5,8-11,21H,2-3,6-7H2,1H3
InChIKeySGLKGNUMFZDWLK-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927295
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 167951208) is 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(F)cc(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is SGLKGNUMFZDWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3S/c1-2-7-22-17-5-4-15(8-12(17)3-6-18(22)23)21-26(24,25)16-10-13(19)9-14(20)11-16/h4-5,8-11,21H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 396.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 167951208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).